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Title: Materials Data on Bi2SeO6 by Materials Project

Abstract

Bi2SeO6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Bi3+ is bonded in a 5-coordinate geometry to nine O2- atoms. There are a spread of Bi–O bond distances ranging from 2.31–2.89 Å. Se6+ is bonded to six O2- atoms to form corner-sharing SeO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There is two shorter (1.75 Å) and four longer (1.97 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Bi3+ and two equivalent Se6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Bi3+ and one Se6+ atom. In the third O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra.

Authors:
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1289579
Report Number(s):
mp-754798
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Bi2SeO6; Bi-O-Se

Citation Formats

The Materials Project. Materials Data on Bi2SeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289579.
The Materials Project. Materials Data on Bi2SeO6 by Materials Project. United States. https://doi.org/10.17188/1289579
The Materials Project. Sun . "Materials Data on Bi2SeO6 by Materials Project". United States. https://doi.org/10.17188/1289579. https://www.osti.gov/servlets/purl/1289579.
@article{osti_1289579,
title = {Materials Data on Bi2SeO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2SeO6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Bi3+ is bonded in a 5-coordinate geometry to nine O2- atoms. There are a spread of Bi–O bond distances ranging from 2.31–2.89 Å. Se6+ is bonded to six O2- atoms to form corner-sharing SeO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There is two shorter (1.75 Å) and four longer (1.97 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Bi3+ and two equivalent Se6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Bi3+ and one Se6+ atom. In the third O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra.},
doi = {10.17188/1289579},
url = {https://www.osti.gov/biblio/1289579}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}